SCHEMBL3129681

SCHEMBL3129681

O=C(O)c1ccc(N(Cc2cnccn2)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1.O=C(O)c1cccc(N(Cc2cnccn2)c2ccc(OC(F)F)c(OCC3CC3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 17/20 0.50
PDE4B Q07343 12/20 0.50
PDE4A P27815 10/20 0.50
PDE4C Q08493 10/20 0.50
ABCB11 O95342 1/20 0.45
RXRA P19793 1/20 0.44
PDE5A O76074 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3131858 0.98 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3131490 0.95 PDE4D (0.52) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3129688 0.91 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3132484 0.88 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3129425 0.87 SYK (0.38) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3129536 0.87 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL1157297 0.86 PDE4D (0.54) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3120621 0.85 PDE4A (0.40) PDE4DPDE4BPDE4APDE4CRXRA
SCHEMBL3120236 0.84 PDE4D (0.58) PDE4DPDE4BPDE4APDE4CABCB11
SCHEMBL3130890 0.84 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed